N,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide

C20H29N3O2 — CID 54770716

IUPACN,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCCCCCN(CCCCC)C(=O)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H29N3O2/c1-3-5-10-14-23(15-11-6-4-2)19(24)16-18-21-20(22-25-18)17-12-8-7-9-13-17/h7-9,12-13H,3-6,10-11,14-16H2,1-2H3
InChIKeyZEBNJQAFEJZDGB-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.49
Rot. Bonds11

About N,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide

N,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide (PubChem CID 54770716) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide.

Molecular Properties

Compound NameN,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide
PubChem CID54770716
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCCCCCN(CCCCC)C(=O)Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C20H29N3O2/c1-3-5-10-14-23(15-11-6-4-2)19(24)16-18-21-20(22-25-18)17-12-8-7-9-13-17/h7-9,12-13H,3-6,10-11,14-16H2,1-2H3
InChIKeyZEBNJQAFEJZDGB-UHFFFAOYSA-N
XLogP4.49
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Oxolamine
CID 13738
Proxazole
CID 8590
Phenylmethyloxadiazole
CID 98806
Sodium perchlorate hydrate
CID 270750
4,4,4-Trifluoro-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]butan-1-one
CID 56945951
3-Phenyl-1,2,4-oxadiazole-5-acetic acid
CID 7017713
5-Ethenyl-3-phenyl-1,2,4-oxadiazole
CID 14373585
(4-Fluorobenzyl)methyl[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 23723829
N-(2-methylpropyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 2002505
3-Phenyl-5-(propan-2-yl)-1,2,4-oxadiazole
CID 12710734
2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile
CID 3858087
3-(3-Phenyl-1,2,4-oxadiazol-5-yl)-1-(pyrrolidin-1-yl)propan-1-one
CID 665520

Frequently Asked Questions

What is the IUPAC name of N,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide?
The IUPAC name of N,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide (CID 54770716) is N,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide.
What is the SMILES notation for N,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide?
The canonical SMILES for N,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide is CCCCCN(CCCCC)C(=O)Cc1nc(-c2ccccc2)no1.
What is the InChIKey of N,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide?
The InChIKey is ZEBNJQAFEJZDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-5-10-14-23(15-11-6-4-2)19(24)16-18-21-20(22-25-18)17-12-8-7-9-13-17/h7-9,12-13H,3-6,10-11,14-16H2,1-2H3.
What are the key properties of N,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide?
N,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide has a molecular weight of 343.47 g/mol, XLogP of 4.49, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipentyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetamide is sourced from PubChem (CID 54770716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).